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102548-16-3 | 4-Hexen-3-one, 1-methoxy-
CAS No: 102548-16-3 Catalog No: AG0007P0 MDL No:
Product Description
Catalog Number:
AG0007P0
Chemical Name:
4-Hexen-3-one, 1-methoxy-
CAS Number:
102548-16-3
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
1-methoxyhex-4-en-3-one
InChI:
InChI=1S/C7H12O2/c1-3-4-7(8)5-6-9-2/h3-4H,5-6H2,1-2H3
InChI Key:
IJRKCRICHQXRSC-UHFFFAOYSA-N
SMILES:
COCCC(=O)C=CC
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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